2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one

C19H15ClF3N3O2 — CID 134290155

IUPAC2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one
SMILESCc1ccccc1Cn1cc(O)c(=O)nc1Nc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C19H15ClF3N3O2/c1-11-5-2-3-6-12(11)9-26-10-15(27)17(28)25-18(26)24-14-8-4-7-13(16(14)20)19(21,22)23/h2-8,10,27H,9H2,1H3,(H,24,25,28)
InChIKeyIVKMIKJDNROEHP-UHFFFAOYSA-N
MW409.80 g/mol
LogP4.72
Rot. Bonds4

About 2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one

2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one (PubChem CID 134290155) has the molecular formula C19H15ClF3N3O2 and a molecular weight of 409.80 g/mol. Its IUPAC name is 2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one
PubChem CID134290155
Molecular FormulaC19H15ClF3N3O2
Molecular Weight409.80 g/mol
Exact Mass409.08
IUPAC Name2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one
SMILESCc1ccccc1Cn1cc(O)c(=O)nc1Nc1cccc(C(F)(F)F)c1Cl
InChIInChI=1S/C19H15ClF3N3O2/c1-11-5-2-3-6-12(11)9-26-10-15(27)17(28)25-18(26)24-14-8-4-7-13(16(14)20)19(21,22)23/h2-8,10,27H,9H2,1H3,(H,24,25,28)
InChIKeyIVKMIKJDNROEHP-UHFFFAOYSA-N
XLogP4.72
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.80
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-Chloro-3-(trifluoromethyl)anilino]-5-methoxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one
CID 134290160
1-Benzyl-2-[2-chloro-3-(trifluoromethyl)anilino]-5-methoxypyrimidin-4-one
CID 134290165
2-[2-Chloro-3-(trifluoromethyl)anilino]-1-[(4-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290204
2-(3-Chloro-2-methylanilino)-5-methoxy-1-[(3,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134290362
1-[(3-Chloro-5-fluorophenyl)methyl]-2-(2,3-dimethylanilino)-5-methoxypyrimidin-4-one
CID 134290404
1-[(3-Chloro-4-fluorophenyl)methyl]-2-(2-chloro-3-methylanilino)-5-methoxypyrimidin-4-one
CID 134290473
1-Benzyl-2-(3-chloro-2-methylanilino)-5-(trifluoromethyl)pyrimidin-4-one
CID 134290508
2-(3-Chloro-2-methylanilino)-5-methoxy-1-[(2,4,5-trifluorophenyl)methyl]pyrimidin-4-one
CID 134290625
2-(3-Chloro-2-methylanilino)-5-methoxy-1-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-one
CID 134290661
1-[(3-Chlorophenyl)methyl]-2-(2,3-dimethylanilino)-5-fluoropyrimidin-4-one
CID 134290665
2-(2-Chloro-3-methylanilino)-1-[(3-fluorophenyl)methyl]-5-methoxypyrimidin-4-one
CID 134290689
1-Benzyl-2-(4-chloro-2-fluoro-5-methylanilino)-5-methoxypyrimidin-4-one
CID 134290709

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one?
The IUPAC name of 2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one (CID 134290155) is 2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one is Cc1ccccc1Cn1cc(O)c(=O)nc1Nc1cccc(C(F)(F)F)c1Cl.
What is the InChIKey of 2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one?
The InChIKey is IVKMIKJDNROEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3O2/c1-11-5-2-3-6-12(11)9-26-10-15(27)17(28)25-18(26)24-14-8-4-7-13(16(14)20)19(21,22)23/h2-8,10,27H,9H2,1H3,(H,24,25,28).
What are the key properties of 2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one?
2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one has a molecular weight of 409.80 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-3-(trifluoromethyl)anilino]-5-hydroxy-1-[(2-methylphenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 134290155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).